NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id cing stage position type subsubtype
15005 1xbl cing 1-original 1 chemical shift format 3


SHIFTH     ALA 2 4.07 1.49
SHIFTH     LYS 3 4.18 1.17, 1.41 Hg 1.17, 1.27; Hd 1.36, 1.36; He 2.89, 2.89
SHIFTH     GLN 4 8.44 4.24 1.89, 1.96 Hg 2.43,2.43; He2 6.79, 7.67
SHIFTH     ASP 5 8.80 4.53 2.73, 3.11
SHIFTH     TYR 6 7.22 4.30 1.89, 2.63 Hd 5.96, 5.96; He 6.59, 6.59
SHIFTH     TYR 7 7.58 3.86 3.20,3.20 Hd 7.38, 7.38; He 6.91, 6.91
SHIFTH     GLU 8 7.85 4.16 2.21, 2.29 Hg 2.33, 2.55
SHIFTH     ILE 9 8.11 3.68 1.93 Hg1 1.10, 1.63; Hg2 0.85; Hd 0.84
SHIFTH     LEU 10 6.93 4.34 1.59, 1.77 Hg 1.80; Hd 0.83, 0.99
SHIFTH     GLY 11 7.99 3.93, 3.93
SHIFTH     VAL 12 7.82 4.79 2.29 Hg 0.80, 1.00
SHIFTH     SER 13 8.27 4.41 3.72, 3.94
SHIFTH     LYS 14 8.17 2.54 1.44, 1.44 Hg 1.08, 1.21; Hd 1.51, 1.51; He 2.93, 2.98
SHIFTH     THR 15 7.30 4.20 4.55 Hg2 1.04
SHIFTH     ALA 16 7.53 4.18 1.52
SHIFTH     GLU 17 8.94 4.54 2.10, 2.43 Hg 2.49, 2.49
SHIFTH     GLU 18 9.17 3.82 2.06, 2.28 Hg 2.17, 2.28
SHIFTH     ARG 19 8.94 4.08 1.86, 1.99 Hg 1.64, 1.75; Hd 3.26, 3.26
SHIFTH     GLU 20 7.42 4.18 2.22, 2.37 Hg 2.36, 2.44 
SHIFTH     ILE 21 7.81 3.61 1.97 Hg1 0.89, 1.75; Hg2 0.81; Hd 0.80
SHIFTH     ARG 22 8.57 4.23 1.88, 2.00 Hg 1.64, 1.74; Hd 3.24, 3.38
SHIFTH     LYS 23 7.81 4.00 1.95, 1.95 Hg 1.46, 1.67; Hd 1.67, 1.74; He 3.01, 3.01
SHIFTH     ALA 24 7.99 4.17 1.67
SHIFTH     TYR 25 8.35 3.952.80, 2.80 Hd 6.20, 6.20; He 6.37, 6.37
SHIFTH     LYS 26 8.06 3.47 1.86, 1.86 Hg 1.37, 1.56; He 2.94, 2.94
SHIFTH     ARG 27 7.57 4.03 1.94, 1.94 Hg 1.56, 1.73; Hd 3.25, 3.25
SHIFTH     LEU 28 7.99 4.10 1.57, 1.92 Hg 1.91; Hd 1.02, 1.08
SHIFTH     ALA 29 9.13 3.87 0.95
SHIFTH     MET 30 7.27 4.12 2.06, 2.11 Hg 2.54, 2.66; He 2.01
SHIFTH     LYS 31 7.26 3.94 1.55, 1.60 Hg 0.60, 1.10; Hd 1.33, 1.47; He 2.79, 2.86
SHIFTH     TYR 32 7.80 4.49 2.46, 3.44 Hd 7.09, 7.09; He 6.86, 6.86
SHIFTH     HIS 33 7.44 3.94 2.70, 3.22
SHIFTH     PRO 34 4.16 1.84, 2.15 Hg 1.66, 1.66; Hd 2.24, 2.75
SHIFTH     ASP 35 10.02 4.49 2.67, 2.67
SHIFTH     ARG 36 7.84 4.42 1.65, 1.96 Hg 1.55, 1.55; Hd 3.16, 3.16 
SHIFTH     ASN 37 7.76 4.88 2.46, 2.76 Hd2 6.98, 7.68
SHIFTH     GLN 38 8.49 4.16 2.03, 2.11Hg 2.39, 2.39; He2 6.79, 7.50
SHIFTH     GLY 39 8.77 3.83, 4.02
SHIFTH     ASP 40 7.71 4.73 2.58, 2.96
SHIFTH     LYS 41 8.80 4.14 1.90, 1.90Hg 1.54, 1.60; Hd 1.71, 1.71; He 3.03, 3.03
SHIFTH     GLU 42 8.37 4.22 2.16, 2.16 Hg 2.28, 2.35
SHIFTH     ALA 43 7.99 4.07 1.59
SHIFTH     GLU 44 7.91 4.08 2.13, 2.13 Hg 2.21, 2.40
SHIFTH     ALA 45 7.76 4.13 1.53
SHIFTH     LYS 46 7.99 3.99 1.27, 1.54 Hg 1.18, 1.26; Hd 1.45, 1.45; He 2.82, 2.82
SHIFTH     PHE 47 8.66 4.05 3.07, 3.21 Hz 7.07, 7.07
SHIFTH     LYS 48 7.94 3.78 1.95, 1.95 Hg 1.45, 1.69; Hd 1.71, 1.71; He 2.98, 2.98 
SHIFTH     GLU 49 7.47 4.14 2.11, 2.21 Hg 2.32, 2.46
SHIFTH     ILE 50 7.85 3.62 1.81 Hg1 1.14, 1.67; Hg2 0.94; Hd 0.79
SHIFTH     LYS 51 8.11 3.80 1.42, 1.63 Hg 1.27, 1.27; Hd 1.53, 1.60; He 2.85
SHIFTH     GLU 52 7.60 3.77 1.97, 2.08 Hg 1.90, 2.19
SHIFTH     ALA 53 7.49 2.70 1.35
SHIFTH     TYR 54 8.05 3.57 2.55, 2.55 Hd 6.33, 6.33; He 6.40, 6.40
SHIFTH     GLU 55 8.17 3.25 1.76, 1.92 Hg 2.05, 2.39
SHIFTH     VAL 56 7.23 3.29  1.08 Hg 0.41, 0.46
SHIFTH     LEU 57 7.57 3.73 1.21, 1.46 Hg 1.42; Hd 0.12, 0.28
SHIFTH     THR 58 7.14 4.05 4.05 Hg2 0.72
SHIFTH     ASP 59 6.99 4.84 2.49, 2.94
SHIFTH     SER 60 8.96 3.95 4.01, 4.01
SHIFTH     GLN 61 8.12 4.28 2.18, 2.23 Hg 2.38, 2.52; He2 6.85, 7.60
SHIFTH     LYS 62 8.47 4.23 1.89, 2.40 Hg 1.36, 1.62; Hd 1.52, 1.52; He 2.86, 2.86
SHIFTH     ARG 63 9.42 3.72 1.76, 1.76 Hg 2.13, 2.13; Hd 3.16, 3.56
SHIFTH     ALA 64 7.55 4.26 1.56
SHIFTH     ALA 65 7.70 4.27 1.59
SHIFTH     TYR 66 8.97 4.14 3.17, 3.17 Hd 6.98, 6.98; He 6.27, 6.27
SHIFTH     ASP 67 9.28 4.36 2.61, 2.67
SHIFTH     GLN 68 7.48 4.04 1.41, 1.75 Hg 1.56, 1.91; He2 6.64, 7.03
SHIFTH     TYR 69 8.41 4.68 2.64, 3.11 Hd 7.16, 7.16; He 6.78, 6.78
SHIFTH     GLY 70 8.43 3.22, 3.95
SHIFTH     HIS 71 8.46 4.51 3.07, 3.27
SHIFTH     ALA 72 8.14 4.20 1.45
SHIFTH     ALA 73 7.66 3.85 0.93
SHIFTH     PHE 74 7.57 4.74 2.99, 3.44 Hg 7.39, 7.39 
SHIFTH     GLU 75 7.62 4.33 1.95, 2.08 Hg 2.29, 2.35
SHIFTH     GLN 76 8.46 4.27 1.98, 2.12 Hg 2.34, 2.34; He2 6.77, 7.47
SHIFTH     GLY 77 8.42 3.92, 3.92 
SHIFTH     GLY 78 8.18 3.91, 3.91
SHIFTH     MET 79 8.25 4.39 1.88, 2.01 Hg 2.40, 2.48; He 1.97
SHIFTH     GLY 80 8.40 3.90, 3.90
SHIFTH     GLY 83 8.19 3.87, 3.87
SHIFTH     PHE 84 8.16 4.32 3.00, 3.14 Hd 7.19, 7.19
SHIFTH     GLY 85 8.44 3.90, 3.90
SHIFTH     GLY 87 8.26 3.91, 3.91
SHIFTH     ALA 88 8.15 4.26 1.27
SHIFTH     ASP 89 8.23 4.53 2.49, 2.58
SHIFTH     PHE 90 8.18 4.52 2.97, 3.15 Hd 7.19, 7.19
SHIFTH     SER 91 8.23 4.30 3.79, 3.84
SHIFTH     ASP 92 8.23 4.56 2.63, 2.63
SHIFTH     ILE 93 7.74 3.99 1.65 Hg1 0.96, 1.09; Hg2 0.58; Hd 0.67 
SHIFTH     PHE 94 8.06 4.61 2.93, 3.18 Hd 7.19, 7.19
SHIFTH     GLY 95 8.07 3.91, 3.91
SHIFTH     ASP 96 8.21 4.53 2.54, 2.64
SHIFTH     VAL 97 7.92 3.98 1.93 Hg 0.67, 0.71
SHIFTH     PHE 98 8.21 4.60 2.93, 3.17 Hd 7.19, 7.19
SHIFTH     GLY 99 8.11 3.89, 3.89
SHIFTH     ASP 100 8.19 4.59  2.66, 2.66
SHIFTH     ILE 101 7.91 4.00 1.67 Hg1 0.96, 1.06; Hg2 0.60; Hd 0.69
SHIFTH     PHE 102 8.19 4.60 2.93, 3.16 Hd 7.19, 7.19
SHIFTH     GLY 103 8.16 3.92, 3.92
SHIFTH     ARG 106 8.15 4.57 1.64, 1.79
SHIFTH     GLY 107 8.43 3.90, 3.90                                               
SHIFTNC    ALA 2 51.9 19.2
SHIFTNC    LYS 3 56.4 32.8 13Cg 24.7; 13Cd 28.9; 13Ce 41.8
SHIFTNC    GLN 4 123.3 55.8 30.3 13Cg 34.4; 15Ne2 112.2
SHIFTNC    ASP 5 123.6 53.7 43.1
SHIFTNC    TYR  6 122.9 58.3 38.3 13Cd 130.6; 13Ce 118.8
SHIFTNC    TYR  7 115.4 62.2 35.4 13Cg 134.0; 13Cz 118.6
SHIFTNC    GLU 8 119.7 59.1 30.2 13Cg 36.6
SHIFTNC    ILE 9 120.6 64.8 37.6 13Cg1 29.2; 13Cg2 18.2; 13Cd 14.0
SHIFTNC    LEU 10 115.4 54.6 43.0 13Cg 26.9; 13Cd 23.7, 26.9
SHIFTNC    GLY 11 108.9 46.5
SHIFTNC    VAL 12 110.8 57.1 35.1 13Cg 18.8, 21.8
SHIFTNC    SER 13 115.4 57.2 64.2
SHIFTNC    LYS 14 121.5 57.7 32.1 13Cg 25.0; 13Cd 29.2; 13Ce 42.1
SHIFTNC    THR 15 127.7 59.9 68.0 13Cg 21.4
SHIFTNC    ALA 16 125.1 53.1 19.5
SHIFTNC    GLU 17 120.8 55.4 31.2 13Cg 36.6
SHIFTNC    GLU 18 124.0 60.9 29.5 13Cg 36.6
SHIFTNC    ARG 19 116.5 59.7 29.7 13Cg 26.9; 13Cd 43.4
SHIFTNC    GLU 20 119.8 58.7 30.0 13Cg 36.6
SHIFTNC    ILE 21 122.9 66.1 37.9 13Cg1 30.2; 13Cg2 17.9; 13Cd 13.3
SHIFTNC    ARG 22 118.6 60.5 29.2 13Cd 43.1
SHIFTNC    LYS 23 119.7 59.9 32.5 13Cg 25.5; 13Cd 29.2; 13Ce 41.8
SHIFTNC    ALA 24 122.9 55.1 18.5
SHIFTNC    TYR 25 117.2 61.5 39.3 13Cg 132.5; 13Cz 117.4
SHIFTNC    LYS 26 117.9 59.8 32.1 13Cg 25.3; 13Ce 42.1
SHIFTNC    ARG 27 117.2 59.2 30.2 13Cg 27.6
SHIFTNC    LEU 28 121.1 57.4 42.6 13Cg 27.3; 13Cd 23.1, 26.9
SHIFTNC    ALA 29 122.9 55.1 17.2
SHIFTNC    MET 30 113.7 57.7 32.3 13Cg 32.1; 13Ce 16.6
SHIFTNC    LYS 31 118.8 58.5 32.8 13Cg 24.3; 13Cd 29.2; 13Ce 41.8
SHIFTNC    TYR 32 115.1 58.5 38.8 13Cg 133.0; 13Cz 118.5
SHIFTNC    HIS 33 120.5 56.3 30.7 
SHIFTNC    PRO 34 65.1 31.8 13Cg 26.9; 13Cd 50.2
SHIFTNC    ASP 35 120.4 56.1 40.4 
SHIFTNC    ARG 36 117.6 55.9 30.8 13Cg 26.9; 13Cd 43.1
SHIFTNC    ASN 37 119.4 52.9 40.4 15Nd2 115.7
SHIFTNC    GLN 38 121.1 57.5 28.4 13Cg 34.0; 15Ne2 112.9
SHIFTNC    GLY 39 111.2 45.5
SHIFTNC    ASP 40 120.1 53.4 41.6 
SHIFTNC    LYS 41 126.5 58.7 32.1 13Cg 24.7; 13Cd 28.6; 13Ce 42.1
SHIFTNC    GLU 42 121.5 58.9 29.0 13Cg 36.3
SHIFTNC    ALA 43 123.6 55.2 17.9
SHIFTNC    GLU 44 117.6 59.5 29.8 13Cg 36.3
SHIFTNC    ALA 45 122.1 55.0 18.1
SHIFTNC    LYS 46 119.4 58.4 31.4 13Cg 24.7; 13Cd 28.2; 13Ce 41.8
SHIFTNC    PHE 47 120.1 61.3 38.7
SHIFTNC    LYS 48 118.3 60.3 32.4 13Cg 25.5; 13Cd 29.5; 13Ce 41.8
SHIFTNC    GLU 49 119.0 59.0 29.8 13Cg 36.3
SHIFTNC    ILE 50 119.7 65.1 38.3 13Cg1 29.2; 13Cg2 17.9; 13Cd 15.6
SHIFTNC    LYS 51 121.2 59.9 32.3 13Cg 24.7; 13Cd 29.5; 13Ce 41.8
SHIFTNC    GLU 52 119.4 59.3 29.6 13Cg 36.0 
SHIFTNC    ALA 53 119.0 54.5 18.8
SHIFTNC    TYR 54 117.2 60.9 39.2 13Cd 132.3; 13Ce 118.0
SHIFTNC    GLU 55 120.4 59.0 29.0 13Cg 37.0
SHIFTNC    VAL 56 117.2 66.0 31.4 13Cg 20.9, 22.4
SHIFTNC    LEU 57 111.1 56.5 41.9 13Cg 25.6; 13Cd 25.0, 22.1
SHIFTNC    THR 58 126.8 61.5 68.7 13Cg 22.1
SHIFTNC    ASP 59 124.0 52.7 43.3
SHIFTNC    SER 60 121.5 62.5 62.5
SHIFTNC    GLN 61 121.1 59.0 28.8 13Cg 34.6; 15Ne2 112.9
SHIFTNC    LYS 62 123.3 60.2 33.1 13Cg 26.9; 13Cd 30.2; 13Ce 42.5
SHIFTNC    ARG 63 122.2 60.7 29.5 13Cd 43.8
SHIFTNC    ALA 64 119.0 55.0 17.9
SHIFTNC    ALA 65 121.3 55.1 18.2
SHIFTNC    TYR 66 121.5 61.5 38.5 13Cd 132.7; 13Ce 118.7
SHIFTNC    ASP 67 121.5 57.0 39.8
SHIFTNC    GLN 68 117.6 57.9 29.5 13Cg 33.1; 15Ne2 111.1
SHIFTNC    TYR 69 115.6 58.0 40.3 13Cd 133.3; 13Ce 118.0
SHIFTNC    GLY 70 111.5 45.3
SHIFTNC    HIS 71 120.1 59.7 30.3
SHIFTNC    ALA 72 121.5 54.0 18.2
SHIFTNC    ALA 73 119.0 53.6 18.5
SHIFTNC    PHE 74 115.2 56.7 39.4 13Cd 132.3
SHIFTNC    GLU 75 120.8 56.6 30.6 13Cg 36.4
SHIFTNC    GLN 76 120.8 56.4 29.0 13Cg 33.8; 15Ne2 112.9
SHIFTNC    GLY 77 110.1 45.5
SHIFTNC    GLY 78 108.7 45.4
SHIFTNC    MET 79 119.7 55.7 32.6 13Cg 32.1; 13Ce 16.9
SHIFTNC    GLY 80 109.7 45.4
SHIFTNC    GLY 83 108.7 45.3
SHIFTNC    PHE 84 120.1 56.2 39.1
SHIFTNC    GLY 85 110.5 45.3
SHIFTNC    GLY 87 108.7 45.2
SHIFTNC    ALA 88 124.0 52.4 19.4
SHIFTNC    ASP 89 119.4 54.1 41.2
SHIFTNC    PHE 90 121.2 58.0 39.1
SHIFTNC    SER 91 116.8 59.2 63.7
SHIFTNC    ASP 92 122.2 54.6 41.0
SHIFTNC    ILE 93 119.1 61.9 38.5 13Cg1 26.9; 13Cg2 17.2; 13Cd 13.0
SHIFTNC    PHE 94 121.1 57.9 39.4
SHIFTNC    GLY 95 109.4 45.5 
SHIFTNC    ASP 96 120.8 54.141.1
SHIFTNC    VAL 97 119.4 62.8 32.4 13Cg 20.3, 21.0
SHIFTNC    PHE 98 121.9 58.0 39.2
SHIFTNC    GLY 99 109.4 45.5
SHIFTNC    ASP 100 120.8 54.2 41.2
SHIFTNC    ILE 101 120.0 62.0 38.3 13Cg1 26.9; 13Cg2 17.2; 13Cd 13.0
SHIFTNC    PHE 102 121.5 57.9 39.2
SHIFTNC    GLY 103 110.4 45.6
SHIFTNC    ARG 106 120.1
SHIFTNC    GLY 107 111.2 45.2
SHIFTNC    ARG 108 125.4 57.3 31.4 13Cg 25.5; 15Ne 85.8                                          


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